==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-JAN-08 3C1E . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR V.S.KHANGULOV,J.L.SCHLESSMAN,E.B.GARCIA-MORENO . 131 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7349.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 22.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 8 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 20.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 6 A K 0 0 161 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -9.7 -0.0 -0.3 -11.2 2 7 A L - 0 0 29 62,-0.0 2,-0.4 107,-0.0 64,-0.1 -0.903 360.0-152.5-110.9 150.5 2.3 -0.9 -8.2 3 8 A H - 0 0 114 -2,-0.3 62,-0.5 62,-0.3 2,-0.4 -0.947 13.5-126.0-129.1 145.5 3.1 -4.4 -6.7 4 9 A K - 0 0 90 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.681 28.7-169.4 -81.9 132.2 4.1 -5.8 -3.4 5 10 A E E -A 63 0A 27 58,-2.8 58,-3.0 -2,-0.4 -2,-0.0 -0.927 25.4 -99.7-122.1 151.8 7.2 -8.0 -3.5 6 11 A P E +A 62 0A 107 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.248 45.2 155.4 -70.9 152.1 8.6 -10.3 -0.7 7 12 A A E -A 61 0A 12 54,-1.5 54,-0.7 15,-0.1 2,-0.3 -0.946 28.3-135.7-162.4 164.5 11.4 -9.4 1.6 8 13 A T E -D 21 0B 84 13,-1.5 13,-3.1 -2,-0.3 2,-0.2 -0.954 29.0-104.4-126.4 146.9 12.7 -10.4 5.1 9 14 A L E +D 20 0B 52 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.494 33.3 171.6 -66.5 131.8 13.9 -8.2 7.9 10 15 A I E - 0 0 74 9,-3.0 2,-0.3 1,-0.3 10,-0.2 0.774 68.9 -30.1 -94.2 -59.9 17.7 -8.2 8.5 11 16 A K E -D 19 0B 116 8,-1.7 8,-2.9 0, 0.0 -1,-0.3 -0.962 54.4-114.3-160.3 140.2 17.7 -5.3 11.1 12 17 A A E +D 18 0B 25 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.360 32.4 175.4 -61.1 148.0 15.9 -2.2 12.1 13 18 A I - 0 0 76 4,-1.1 2,-0.2 1,-0.5 5,-0.2 0.575 50.7 -41.6-123.8 -70.3 18.0 0.9 11.6 14 19 A D S S- 0 0 21 3,-1.8 -1,-0.5 33,-0.1 3,-0.4 -0.771 76.2 -62.3-144.8-160.3 16.2 4.1 12.4 15 20 A G S S+ 0 0 0 22,-0.3 77,-0.1 -2,-0.2 23,-0.1 0.831 130.3 18.8 -58.3 -34.4 12.8 5.7 11.8 16 21 A D S S+ 0 0 3 21,-0.1 15,-3.0 20,-0.1 2,-0.3 0.314 116.2 65.4-128.9 11.1 13.0 5.8 8.0 17 22 A T E + E 0 30B 11 -3,-0.4 -3,-1.8 13,-0.2 -4,-1.1 -0.978 52.1 169.6-131.8 147.5 15.7 3.3 7.0 18 23 A V E -DE 12 29B 1 11,-1.9 11,-3.3 -2,-0.3 2,-0.6 -0.991 32.1-122.4-154.4 147.3 15.7 -0.5 7.5 19 24 A K E +DE 11 28B 64 -8,-2.9 -9,-3.0 -2,-0.3 -8,-1.7 -0.866 39.4 169.7-100.4 122.6 17.9 -3.4 6.3 20 25 A L E -DE 9 27B 0 7,-2.6 7,-2.5 -2,-0.6 2,-0.7 -0.887 37.7-121.1-128.3 153.6 16.0 -6.0 4.4 21 26 A M E -DE 8 26B 80 -13,-3.1 -13,-1.5 -2,-0.3 2,-0.4 -0.903 37.0-179.0 -96.6 119.1 16.9 -9.0 2.3 22 27 A Y E > - E 0 25B 28 3,-2.8 3,-2.0 -2,-0.7 -15,-0.1 -0.980 67.2 -10.3-126.3 128.4 15.4 -8.4 -1.1 23 28 A K T 3 S- 0 0 172 -2,-0.4 -1,-0.2 -17,-0.4 -16,-0.1 0.873 131.4 -56.9 46.5 40.1 15.7 -11.0 -4.0 24 29 A G T 3 S+ 0 0 49 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.470 117.9 108.0 80.2 1.8 18.2 -12.7 -1.7 25 30 A Q E < S-E 22 0B 127 -3,-2.0 -3,-2.8 2,-0.0 2,-0.3 -0.920 72.5-115.3-116.8 138.2 20.5 -9.7 -1.3 26 31 A P E +E 21 0B 75 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.533 44.6 168.7 -67.6 130.8 21.0 -7.5 1.8 27 32 A M E -E 20 0B 43 -7,-2.5 -7,-2.6 -2,-0.3 2,-0.6 -0.997 35.8-129.3-145.1 142.4 19.9 -3.9 1.1 28 33 A T E -E 19 0B 46 -2,-0.3 49,-2.6 47,-0.3 2,-0.4 -0.832 29.6-154.0 -88.7 126.2 19.3 -0.7 3.1 29 34 A F E -Ef 18 77B 0 -11,-3.3 -11,-1.9 -2,-0.6 2,-0.5 -0.888 7.2-156.0-103.0 132.5 15.8 0.6 2.3 30 35 A R E -Ef 17 78B 23 47,-3.5 49,-1.4 -2,-0.4 2,-0.3 -0.926 29.5-117.1-102.8 126.9 14.9 4.3 2.7 31 36 A L E > - f 0 79B 2 -15,-3.0 3,-0.9 -2,-0.5 49,-0.2 -0.494 31.4-120.3 -68.2 125.9 11.2 4.8 3.1 32 37 A L T 3 S+ 0 0 10 47,-2.1 49,-0.1 -2,-0.3 71,-0.1 -0.376 83.7 7.5 -63.6 144.3 9.6 6.9 0.2 33 38 A L T 3 S+ 0 0 2 69,-0.6 68,-1.7 1,-0.2 2,-0.3 0.425 108.0 93.1 73.4 6.7 7.8 10.2 0.8 34 39 A V E < -H 100 0C 0 -3,-0.9 2,-0.3 66,-0.3 66,-0.2 -0.881 50.8-161.1-131.1 159.7 8.7 10.6 4.5 35 40 A D E -H 99 0C 55 64,-1.8 64,-2.2 -2,-0.3 3,-0.0 -0.922 9.5-169.6-139.9 116.1 11.3 12.1 6.8 36 41 A T - 0 0 2 -2,-0.3 62,-0.2 62,-0.2 8,-0.1 -0.712 37.5 -97.6 -92.8 151.1 11.7 11.0 10.4 37 42 A P - 0 0 16 0, 0.0 -22,-0.3 0, 0.0 -21,-0.1 -0.329 48.5 -97.7 -63.3 152.9 13.9 13.0 12.8 38 43 A E > - 0 0 87 1,-0.1 3,-2.5 -24,-0.1 6,-0.3 -0.364 36.8-105.1 -68.7 156.6 17.4 11.7 13.2 39 50 A F T 3 S+ 0 0 131 1,-0.3 5,-0.2 5,-0.2 -1,-0.1 0.852 123.4 55.5 -53.4 -35.9 18.0 9.5 16.2 40 51 A N T 3 S+ 0 0 129 4,-0.1 -1,-0.3 3,-0.1 2,-0.1 0.622 102.5 77.9 -68.3 -15.4 19.9 12.4 17.9 41 52 A E S X S- 0 0 94 -3,-2.5 3,-1.7 1,-0.1 2,-0.2 -0.309 97.9 -69.5 -99.1 176.0 16.9 14.7 17.4 42 53 A K T 3 S+ 0 0 129 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.474 121.6 4.5 -66.6 128.5 13.5 15.4 19.0 43 54 A Y T 3> S+ 0 0 31 -2,-0.2 4,-2.3 -4,-0.1 -1,-0.3 0.426 99.7 114.6 70.6 3.2 11.2 12.4 18.3 44 55 A G H <> S+ 0 0 0 -3,-1.7 4,-2.7 -6,-0.3 -29,-0.2 0.920 75.4 45.8 -66.0 -49.7 14.0 10.5 16.7 45 56 A P H > S+ 0 0 52 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.904 115.2 48.7 -59.1 -41.7 14.2 7.8 19.3 46 57 A E H > S+ 0 0 99 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.871 110.9 49.3 -66.3 -40.8 10.4 7.4 19.2 47 58 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.3 0.942 112.4 49.2 -61.5 -45.8 10.4 7.3 15.4 48 59 A S H X S+ 0 0 17 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.907 112.2 47.7 -58.2 -43.3 13.2 4.6 15.5 49 60 A A H X S+ 0 0 55 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.848 110.3 52.7 -65.9 -37.8 11.2 2.6 18.1 50 61 A F H X S+ 0 0 58 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.929 113.7 40.3 -65.8 -51.0 8.0 2.8 16.1 51 62 A T H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.898 113.9 55.5 -63.7 -46.4 9.5 1.5 12.9 52 63 A K H X S+ 0 0 98 -4,-2.3 4,-2.6 -5,-0.3 5,-0.3 0.938 111.5 43.0 -51.1 -51.2 11.6 -1.1 14.8 53 64 A K H X S+ 0 0 138 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.920 111.9 54.8 -66.0 -42.2 8.5 -2.6 16.5 54 65 A M H < S+ 0 0 32 -4,-2.1 4,-0.4 -5,-0.2 -1,-0.2 0.901 117.1 33.6 -58.8 -44.8 6.5 -2.5 13.4 55 66 A V H < S+ 0 0 3 -4,-2.4 3,-0.3 2,-0.2 -1,-0.2 0.840 117.1 53.2 -83.9 -34.6 9.0 -4.5 11.2 56 67 A E H < S+ 0 0 92 -4,-2.6 -2,-0.2 -5,-0.3 -3,-0.2 0.848 111.6 47.7 -66.3 -34.6 10.3 -6.8 14.0 57 68 A N S < S+ 0 0 102 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.621 90.6 107.6 -82.0 -13.8 6.7 -7.8 14.9 58 69 A A - 0 0 19 -4,-0.4 3,-0.2 -3,-0.3 -49,-0.1 -0.417 52.7-162.3 -72.4 138.4 5.7 -8.5 11.3 59 70 A K S S+ 0 0 190 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.821 87.6 31.4 -77.0 -38.0 5.1 -12.0 10.0 60 71 A K - 0 0 110 -52,-0.1 24,-2.9 -3,-0.0 2,-0.4 -0.982 67.3-168.2-130.8 118.0 5.4 -10.7 6.5 61 72 A I E -AB 7 83A 8 -54,-0.7 -54,-1.5 -2,-0.4 2,-0.3 -0.895 14.0-171.7 -98.4 135.7 7.5 -7.8 5.2 62 73 A E E -AB 6 82A 29 20,-2.0 20,-2.5 -2,-0.4 2,-0.4 -0.961 13.7-149.5-128.4 149.3 6.8 -6.5 1.7 63 74 A V E -AB 5 81A 0 -58,-3.0 -58,-2.8 -2,-0.3 2,-0.4 -0.947 10.2-171.7-116.9 132.4 8.5 -4.0 -0.5 64 75 A E E - B 0 80A 10 16,-2.2 16,-3.0 -2,-0.4 2,-0.2 -0.954 10.0-154.8-129.5 110.2 6.6 -2.0 -3.1 65 76 A F - 0 0 10 -62,-0.5 -62,-0.3 -2,-0.4 14,-0.2 -0.503 13.0-132.8 -78.6 151.3 8.7 0.2 -5.5 66 77 A D - 0 0 4 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.189 36.2 -86.7 -89.5-168.9 7.2 3.2 -7.2 67 78 A K S S+ 0 0 138 39,-0.5 40,-0.2 -2,-0.1 3,-0.1 0.650 103.8 42.8 -79.7 -15.4 7.3 4.1 -10.9 68 79 A G S S+ 0 0 30 38,-0.5 38,-0.1 1,-0.3 39,-0.1 0.193 104.3 1.9-107.8-141.3 10.6 5.9 -10.8 69 80 A Q - 0 0 121 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.171 48.4-169.0 -49.1 135.0 14.1 5.6 -9.3 70 81 A R S S+ 0 0 114 1,-0.2 8,-2.4 -3,-0.1 2,-0.3 0.581 71.9 36.3-105.9 -14.4 14.5 2.4 -7.2 71 82 A T B S-G 77 0B 62 6,-0.3 6,-0.2 -42,-0.1 -1,-0.2 -0.980 76.6-137.3-132.7 145.3 17.8 3.2 -5.6 72 83 A D > - 0 0 31 4,-2.8 3,-1.8 -2,-0.3 -2,-0.1 -0.279 41.6 -84.9 -89.8-173.1 19.1 6.6 -4.3 73 84 A K T 3 S+ 0 0 169 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.674 129.3 54.5 -69.0 -12.8 22.6 8.1 -4.7 74 85 A Y T 3 S- 0 0 164 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.353 121.0-106.6 -99.6 2.2 23.7 6.2 -1.6 75 86 A G S < S+ 0 0 50 -3,-1.8 2,-0.3 1,-0.3 -47,-0.3 0.562 72.0 146.3 82.3 9.2 22.6 2.9 -3.0 76 87 A R - 0 0 67 -49,-0.1 -4,-2.8 1,-0.1 -1,-0.3 -0.622 52.8-115.8 -78.1 139.6 19.6 2.7 -0.7 77 88 A G E -fG 29 71B 0 -49,-2.6 -47,-3.5 -2,-0.3 2,-0.5 -0.428 23.2-143.8 -66.5 144.2 16.5 1.1 -2.0 78 89 A L E +f 30 0B 24 -8,-2.4 -12,-0.5 -49,-0.2 2,-0.3 -0.954 42.5 128.0-117.3 112.5 13.5 3.4 -2.3 79 90 A A E -f 31 0B 0 -49,-1.4 -47,-2.1 -2,-0.5 2,-0.5 -0.957 62.0-102.4-153.5 163.7 10.2 1.8 -1.5 80 91 A Y E -B 64 0A 0 -16,-3.0 -16,-2.2 -2,-0.3 2,-0.4 -0.879 43.3-150.5 -88.1 131.5 7.0 1.7 0.4 81 92 A I E -B 63 0A 1 -2,-0.5 7,-2.6 -18,-0.2 8,-0.6 -0.886 10.3-164.1-112.3 133.8 7.4 -0.9 3.1 82 93 A Y E -BC 62 87A 15 -20,-2.5 -20,-2.0 -2,-0.4 2,-0.5 -0.930 8.7-160.6-119.2 141.6 4.5 -2.9 4.5 83 94 A A E > S-BC 61 86A 4 3,-3.4 3,-2.0 -2,-0.4 -22,-0.2 -0.978 83.8 -22.0-122.3 113.8 4.3 -5.0 7.7 84 95 A D T 3 S- 0 0 71 -24,-2.9 -1,-0.2 -2,-0.5 -23,-0.1 0.928 131.6 -47.6 47.4 47.2 1.5 -7.5 7.7 85 96 A G T 3 S+ 0 0 41 -25,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.393 117.0 112.7 81.9 -3.8 -0.2 -5.5 5.1 86 97 A K E < -C 83 0A 142 -3,-2.0 -3,-3.4 4,-0.0 2,-0.6 -0.888 69.1-122.2-103.2 132.5 0.2 -2.1 6.8 87 98 A M E > -C 82 0A 9 -2,-0.4 4,-2.1 -5,-0.3 -5,-0.3 -0.617 13.6-159.9 -78.8 120.0 2.4 0.5 5.3 88 99 A V H > S+ 0 0 0 -7,-2.6 4,-2.5 -2,-0.6 5,-0.2 0.905 90.9 57.5 -58.3 -46.7 5.2 1.6 7.7 89 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.932 111.8 40.4 -53.2 -52.2 5.7 4.9 5.7 90 101 A E H > S+ 0 0 61 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.888 111.9 56.4 -66.6 -42.9 2.0 6.0 6.1 91 102 A A H X S+ 0 0 23 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.897 105.3 51.2 -56.0 -47.1 1.8 4.8 9.8 92 103 A L H <>S+ 0 0 0 -4,-2.5 5,-2.8 2,-0.2 6,-0.8 0.922 113.3 45.7 -55.1 -47.0 4.8 7.0 10.8 93 104 A V H ><5S+ 0 0 0 -4,-1.6 3,-1.9 -5,-0.2 -2,-0.2 0.940 110.5 53.5 -63.2 -44.7 3.1 10.0 9.2 94 105 A R H 3<5S+ 0 0 80 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.837 110.8 47.1 -60.8 -32.9 -0.3 9.2 10.8 95 106 A Q T 3<5S- 0 0 78 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.370 115.1-114.6 -89.3 4.9 1.4 9.1 14.2 96 107 A G T < 5S+ 0 0 0 -3,-1.9 32,-2.1 2,-0.2 -3,-0.2 0.801 86.4 115.9 67.5 28.2 3.2 12.3 13.7 97 108 A L S - 0 0 155 -2,-1.1 3,-1.7 3,-0.4 -3,-0.0 -0.806 37.3 -96.8-101.1 141.3 10.0 13.8 -6.3 105 116 A K T 3 S+ 0 0 202 -2,-0.4 -1,-0.1 1,-0.2 0, 0.0 -0.244 109.0 23.1 -54.2 138.6 7.9 13.5 -9.6 106 117 A G T 3 S+ 0 0 31 -38,-0.1 -38,-0.5 1,-0.0 -39,-0.5 0.171 116.2 65.2 88.0 -21.8 7.5 9.9 -10.7 107 118 A N S < S+ 0 0 11 -3,-1.7 -3,-0.4 -40,-0.2 -74,-0.1 -0.346 77.8 89.9-120.8 51.2 8.0 8.4 -7.3 108 119 A N > + 0 0 56 -5,-0.1 3,-2.0 1,-0.1 4,-0.3 0.042 35.2 129.4-136.2 26.2 4.9 9.9 -5.6 109 120 A T T 3 S+ 0 0 50 1,-0.3 3,-0.4 -3,-0.1 4,-0.2 0.890 83.3 39.8 -53.4 -41.7 2.1 7.4 -6.2 110 121 A H T 3> S+ 0 0 32 1,-0.2 4,-2.0 2,-0.1 -1,-0.3 0.255 82.6 112.4 -96.3 16.3 1.2 7.4 -2.5 111 122 A E H <> S+ 0 0 35 -3,-2.0 4,-2.6 1,-0.2 5,-0.2 0.899 76.2 47.7 -54.4 -48.2 1.6 11.2 -1.9 112 123 A Q H > S+ 0 0 132 -3,-0.4 4,-1.9 -4,-0.3 -1,-0.2 0.890 109.2 53.4 -69.4 -35.8 -2.0 12.0 -1.3 113 124 A L H > S+ 0 0 73 -4,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.901 112.4 46.6 -56.6 -46.7 -2.5 9.2 1.1 114 125 A K H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.892 109.0 52.5 -62.9 -46.3 0.4 10.5 3.1 115 126 A R H X S+ 0 0 97 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.881 108.4 52.1 -62.7 -33.4 -0.7 14.1 3.0 116 127 A K H X S+ 0 0 152 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.936 109.7 49.1 -67.9 -42.2 -4.1 13.0 4.4 117 128 A A H X S+ 0 0 6 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.880 110.0 51.2 -63.3 -39.8 -2.4 11.2 7.3 118 129 A E H X S+ 0 0 25 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.925 107.3 53.3 -64.5 -42.3 -0.3 14.2 8.1 119 130 A A H X S+ 0 0 38 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.923 111.8 45.4 -59.6 -43.2 -3.3 16.4 8.2 120 131 A Q H X S+ 0 0 68 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.922 112.9 49.4 -69.5 -41.5 -5.0 14.1 10.7 121 132 A A H <>S+ 0 0 0 -4,-2.6 5,-2.6 2,-0.2 -2,-0.2 0.862 114.1 47.4 -59.0 -38.3 -1.8 13.8 12.8 122 133 A K H ><5S+ 0 0 93 -4,-2.8 3,-1.5 3,-0.2 -2,-0.2 0.910 109.2 52.6 -70.3 -42.1 -1.5 17.6 12.8 123 134 A K H 3<5S+ 0 0 145 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.884 112.4 46.1 -58.9 -39.8 -5.2 18.0 13.7 124 135 A E T 3<5S- 0 0 83 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.396 108.9-128.7 -81.0 1.0 -4.7 15.7 16.6 125 136 A K T < 5 - 0 0 144 -3,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.844 43.0-179.3 51.4 43.2 -1.4 17.5 17.6 126 137 A L > < - 0 0 45 -5,-2.6 3,-2.7 3,-0.1 2,-0.3 -0.591 43.9 -56.8 -84.1 130.1 0.5 14.3 17.7 127 138 A N G > S+ 0 0 48 -2,-0.4 3,-1.9 1,-0.3 4,-0.2 -0.190 135.5 28.3 52.9-103.0 4.2 14.1 18.6 128 139 A I G > S+ 0 0 27 -32,-2.1 3,-0.7 -2,-0.3 -1,-0.3 0.847 126.6 50.0 -54.7 -35.0 6.0 16.3 16.1 129 140 A W G < S+ 0 0 49 -3,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.318 87.8 84.6 -90.3 9.2 2.9 18.4 15.8 130 141 A S G < 0 0 57 -3,-1.9 -1,-0.2 -34,-0.1 -2,-0.1 0.485 360.0 360.0 -86.1 -2.5 2.5 18.7 19.6 131 142 A E < 0 0 160 -3,-0.7 -2,-0.1 -4,-0.2 -3,-0.1 0.922 360.0 360.0 -72.1 360.0 4.9 21.7 19.7